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We have 37 computational drug design PhD Projects, Programmes & Scholarships

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computational drug design PhD Projects, Programmes & Scholarships

We have 37 computational drug design PhD Projects, Programmes & Scholarships

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Design and Assessment of Innovative Long-Acting Drug Delivery System

Queen’s University Belfast
School of Pharmacy
Current clinical therapies often rely on intermittent drug administration, such as frequent oral tablets or injections, as seen in diabetes management. Read more
 Supervisor: Prof R Thakur
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Noble-Metal Free High-Entropy Alloy Catalyst Design for Drug Synthesis Driven by Machine Learning

Xi’an Jiaotong-Liverpool University
School of Science
This research aims to design and optimize cost-effective, non-precious metal high-entropy alloy (HEA) catalysts for the Heck reaction in drug synthesis by leveraging Density Functional Theory (DFT) and machine learning algorithms. Read more
 Supervisor: Prof H Choi
 Year round applications  PhD Research Project  Funded PhD Project (Students Worldwide)
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Computational and Functional Comprehensive Analysis of Natural Variants of GPCRs towards a personalized medicine approach

Queen’s University Belfast
School of Pharmacy
This project investigates the impact of natural genetic variations on a specific G protein-coupled receptor (GPCR), focusing on its structure, function, and drug interactions. Read more
 Supervisors: Dr I Tikhonova, Dr B Plouffe
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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MSc by Research: Clustering the protein universe across the Tree of Life to enhance drug discovery

University of Dundee
School of Life Sciences
Drug discovery is the systematic process of identifying and optimizing molecular compounds to develop targeted medications for medical conditions. Read more
 Supervisors: Dr H Drost, Prof G J Barton
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Profiling drug metabolism activities in cancer models to identify metabolic activators of prodrugs and guide model system selection in anticancer (pro)drug discovery

University of Bradford
Faculty of Life Sciences
  Research Group: Institute of Cancer Therapeutics
Chemotherapy is a widely-used treatment for cancers, but is limited by a wide range of serious side effects, which have significant impacts on patient quality of life. Read more
 Supervisors: Dr HJ Jones, Dr S Shnyder, Dr V Jha, Dr H Sheldrake
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Predicting drug solubility in different solvents using molecular simulation and machine learning

University of Strathclyde
Department of Chemical and Process Engineering
Predicting the solubility of complex drug-like molecules is crucial at several stages of the drug discovery and manufacture. In particular, solvent selection has been highlighted as a crucial step in process design and optimisation [1]. Read more
 Supervisors: Dr M Jorge, Prof C Price
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Quantum chemical approaches for the simulation of strongly-correlated molecular systems.

Lancaster University
Department of Chemistry
Background. The Kerridge research group (akresearch.wordpress.com) is part of the Chemical Theory and Computation (CTC) Research Section in the Department of Chemistry, Lancaster University. Read more
 Supervisor: Dr A Kerridge
 31 May 2025  PhD Research Project  Funded PhD Project (UK Students Only)
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Caging Circles: Engineering Medically Useful Cyclic Peptides into Artificial Programmable Protein Cages

Durham University
Centre for Programmable Biological Matter
About the Project. Advances in computational techniques now allow us to design artificial nanoscale structures from biological molecules such as proteins. Read more
 Supervisor: Prof J Heddle
 31 March 2025  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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Computational design of bio-inspired silica materials for carbon capture

University of Strathclyde
Department of Chemical and Process Engineering
Materials that are porous at the nanoscale are used in a wide variety of applications, like gas separation, carbon capture, catalysis and drug delivery. Read more
 Supervisor: Dr M Jorge
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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A bifunctional prodrug to overcome acquired oxaliplatin drug resistance in colorectal cancer

University of Bradford
Faculty of Life Sciences
  Research Group: Institute of Cancer Therapeutics
This is one of two new fully funded PhD studentships in the Institute of Cancer Therapeutics Doctoral Training Centre (ICT-DTC) at the University of Bradford. Read more
 Supervisors: Dr S Shnyder, Dr G Ribeiro Morais
 30 April 2025  PhD Research Project  Funded PhD Project (UK Students Only)
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Design, synthesis and evaluation of protease-activated anti-cancer prodrugs

University of Bradford
Faculty of Life Sciences
  Research Group: Institute of Cancer Therapeutics
Matrix metalloproteinases (MMPs) are a family of endoproteases that are overexpressed in tumours and play crucial roles in many tumourigenic processes, not least tumour invasion and angiogenesis. Read more
 Supervisors: Prof R Falconer, Prof P Loadman
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Design, synthesis and evaluation of novel polysialyltransferase inhibitors as anti- metastatic agents

University of Bradford
Faculty of Life Sciences
  Research Group: Institute of Cancer Therapeutics
Polysialic acid plays an essential role in neuronal development, but by adulthood is absent from the human body. Its biosynthesis is regulated by two polysialyltransferases (polySTs). Read more
 Supervisors: Prof R Falconer, Dr S Shnyder
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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BBSRC North East England BBSRC Doctoral Landscape

Newcastle University
 North East England Doctoral Landscape (NEEDL) is a BBSRC-funded strategic Partnership in Biosciences doctoral training between four universities based in the North East of England, Durham University, Newcastle University, Northumbria University and Teesside University. Read more
 Funded PhD Programme (Students Worldwide)  BBSRC Doctoral Training Partnership
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AI and laboratory automation for supramolecular chemistry and molecular recognition

Durham University
Department of Chemistry
Chemistry is undergoing a digital transformation. Advances in artificial intelligence (AI), automation, and machine learning are changing how we design, synthesize, and analyse molecules. Read more
 Supervisor: Dr FS Szczypinski
 31 March 2025  PhD Research Project  Funded PhD Project (UK Students Only)
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Developing anti-cancer drugs: Inhibiting Mortalin function to prevent cancer cell proliferation

University of Aberdeen
School of Natural and Computing Sciences
These projects are open to students worldwide, but have no funding attached. Therefore, the successful applicant will be expected to fund tuition fees at the relevant level (home or international) and any applicable additional research costs. Read more
 Supervisors: Dr W Houssen, Prof A Donaldson, Dr B Milne
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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